Vitas-M small molecule compound
2-(2-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK216573
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccccc2OC(C(=O)O)C)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-3-30-16-10-8-15(9-11-16)24-20(26)17(19(25)23-22(24)29)12-14-6-4-5-7-18(14)31-13(2)21(27)28/h4-13H,3H2,1-2H3,(H,27,28)(H,23,25,29)/b17-12+InChIKey
SHNJCESDUMUPLB-SFQUDFHCSA-NSynonyms
2(2((E)(1(4ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)propanoicacid
2(2((E)(1(4ethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(C)C(=O)O)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccccc2OC(C(=O)O)C)C1=O
InChI=1SC22H20N2O7c13301610815(91116)2420(26)17(19(25)2322(24)29)1214645718(14)3113(2)21(27)28h413H3H212H3(H2728)(H232529)b1712+
MFCD08677101
ZINC000010059503
ZINC000010059504
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